Ethoxycarbonyl Isothiocyanate Chemical Properties

Boiling point:

56 °C18 mm Hg(lit.)

Density 

1.112 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.500(lit.)

Flash point:

123 °F

storage temp. 

2-8°C

solubility 

Soluble in chloroform and ether.

form 

Oil

Specific Gravity

1.112

color 

Light Yellow

Sensitive 

Moisture Sensitive/Lachrymatory

BRN 

606091

InChIKey

BDTDECDAHYOJRO-UHFFFAOYSA-N

CAS DataBase Reference

16182-04-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

T,Xi

Risk Statements 

23-36/37/38-42

Safety Statements 

23-26-36/37/39-45

RIDADR 

UN 2929 6.1/PG 2

WGK Germany 

3

F 

9-13-19-21

HazardClass 

3

PackingGroup 

III

HS Code 

29309090

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Ethoxycarbonyl Isothiocyanate Usage And Synthesis

Chemical Properties

Light Yellow Oil

Uses

Versatile reagent for organic synthesis.
Ethoxycarbonyl isothiocyanate is used as a building block in the synthesis of various heterocycles. It is also used for the synthesis of 1,2,4-oxadiazolidine-3,5-dione. It is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Uses

Ethoxycarbonyl isothiocyanate has been used in the synthesis of:

• pyrazolo[1,5-a][1,3,5]triazine derivatives, potential inhibitors of protein kinase CK2
• fused thiophene derivatives, having antibacterial and antifungal activities
• 4-thiouracil derivatives
• thiocarbamides from stannylarenes
• 1,3,5-triazin-2-one-4-thiones from 2-amino-2-oxazolines
• N-acylthioureas from aminodeoxy sugars

Application

Ethoxycarbonyl isothiocyanate reacts with 2-amino-tetrahydrobenzo[b]thiophene derivatives to yield tetrahydrobenzo[b]thiophen-2-thiourea derivatives.
Ethoxycarbonyl isothiocyanate has been used in the synthesis of:
pyrazolo[1,5-a][1,3,5]triazine derivatives, potential inhibitors of protein kinase CK2
fused thiophene derivatives, having antibacterial and antifungal activities
4-thiouracil derivatives
thiocarbamides from stannylarenes
1,3,5-triazin-2-one-4-thiones from 2-amino-2-oxazolines
N-acylthioureas from aminodeoxy sugars

Synthesis Reference(s)

Using Schiff base as a phase transfer catalyst, ethoxycarbonyl isothiocyanate was synthesized by reacting ethyl chloroformate with sodium thiocyanate. www.semanticscholar.org

General Description

Ethoxycarbonyl isothiocyanate reacts with 2-amino-tetrahydrobenzo[b]thiophene derivatives to yield tetrahydrobenzo[b]thiophen-2-thiourea derivatives.

Hazard

Lachrymator.

Ethoxycarbonyl Isothiocyanate(16182-04-0)Related Product Information

• Methyl isothiocyanate
• 2-CHLORO-6-METHYLPHENYL ISOCYANATE
• 4-Methoxybenzoic acid
• 1,3,5-Triazine
• Phthalic anhydride
• Benzoyl chloride
• Aniline
• Piperazine
• Dimethyl fumarate
• Triphenylphosphine
• Potassium cyanate
• Adapalene
• TRANS-2-PHENYLCYCLOPROPYL ISOCYANATE
• Ethyl isocyanoacetate
• 3-FLUOROPHENYL ISOCYANATE
• Fluorescein isothiocyanate isomer I
• 2-CHLOROETHYL ISOTHIOCYANATE
• Fluorescein isothiocyanate